|
Docking and scoring of submitted compounds (model #4853)
|
|
0
|
402
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4839)
|
|
0
|
316
|
May 5, 2020
|
|
Cysteine proteases from ReFrame Library Repurposing Screen
|
|
5
|
586
|
April 29, 2020
|
|
Protonation States of SARS-CoV-2
|
|
6
|
1057
|
April 29, 2020
|
|
Call 2 - MedChem Selection - docking results
|
|
2
|
523
|
April 22, 2020
|
|
Docking and MD/MMGBSA rescoring of covalent warheads
|
|
0
|
355
|
April 19, 2020
|
|
ADMET predictions
|
|
4
|
1028
|
April 19, 2020
|
|
Central point for Scoring and Docking
|
|
16
|
1328
|
April 17, 2020
|
|
Screening cascade - fast track and regular track of designs
|
|
2
|
1654
|
April 8, 2020
|
|
Exploring the submitted structures
|
|
21
|
1447
|
April 7, 2020
|
|
DOCKovalent results
|
|
3
|
490
|
April 4, 2020
|
|
Pharmacophore Results For Covalent Ideas - 4th April 2020
|
|
1
|
357
|
April 4, 2020
|
|
Alternative binding sites - covalent and non-covalent - dimerization
|
|
0
|
289
|
April 3, 2020
|
|
Second design call: focus on covalents and merging with non-covalents
|
|
32
|
4643
|
April 2, 2020
|
|
List of covalent/noncovalent fragment pairs which overlap in space
|
|
0
|
288
|
April 2, 2020
|
|
Enumeration of non-covalent fragments with KNIME
|
|
8
|
785
|
March 31, 2020
|
|
Ligand design based on DMSO bound to His163 in 6YB7
|
|
0
|
306
|
March 31, 2020
|
|
WaterMaps for several Xrays available
|
|
1
|
273
|
March 31, 2020
|
|
Simulation planning
|
|
2
|
526
|
March 25, 2020
|